Materials Data on Nd3S4 by Materials Project
Nd3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Nd+2.67+ is bonded to eight equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing NdS8 hexagonal bipyramids. There are four shorter (2.89 Å) and four longer (3.06 Å) Nd–S bond lengths. S2- is bonded to six equivalent Nd+2.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SNd6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
36 MATERIALS SCIENCE↗